SCHEMBL4555508

SCHEMBL4555508

[CH2][C@H](C)n1ccc2c([N+](=O)[O-])c(C3CC3)ccc2c1=O

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12702894 0.86 GAA (0.33) GAA
SCHEMBL307153 0.85 P2RX7 (0.42) GAA
SCHEMBL307154 0.85 P2RX7 (0.42) GAA
SCHEMBL305878 0.80 P2RX7 (0.33)
SCHEMBL305879 0.80 P2RX7 (0.33)
SCHEMBL307042 0.67 MAPT (0.33)
SCHEMBL12703131 0.66 ALDH1A1 (0.40) GAA
SCHEMBL305691 0.65 P2RX7 (0.43) GAA
SCHEMBL12702939 0.65 ALDH1A1 (0.37) GAA
SCHEMBL305725 0.65 P2RX7 (0.43) GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2124562-A1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2009-12-02 EP disclosed
WO-2008112205-A1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2008-09-18 WO disclosed